Inorganic Solid Phases

(K,Na)2Na[(Nb,Ti)4(Si4O12)2(OH,O)4]·5H2O (KNa1.65Ca0.35Ti1.6Nb2.4Si8O25.76[OH]2.23[H2O]5) Crystal Structure

General Information

  • Phase Label(s): KNa1.65Ca0.35Ti1.6Nb2.4Si8O25.76[OH]2.23[H2O]5
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): gjerdingenite-Na
  • Pearson Symbol: mS98
  • Space Group: 12
  • Phase Prototype: KNa1.65Ca0.35(Ti0.35Nb0.65)4Si8O25.76[OH]2.23[H2O]5
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; ADP-2 (determination of structural parameters), X-rays, Cu Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, silicate, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, Rietveld refinement; 102 variables, RP = 0.0341; wRP = 0.0439; RB = 0.0138
  • Sample Detail(s): gjerdingenite sample from Canada, Quebec, Rouville County, Mt. Saint-Hilaire, electron microprobe analysis, thermogravimetry; (K0.98Na0.62Ca0.37Ba0.07)(Na0.90Ca0.04Mn0.04Zn0.02)(Nb2.43Ti1.49Fe3+0.09)(Si7.95Al0.05)O24([OH]2.09O1.91)[H2O]5.32, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: KNa1.65Ca0.35Ti1.6Nb2.4Si8O25.76[OH]2.23[H2O]5
  • Alphabetic Formula: Ca0.35[H2O]5KNa1.65Nb2.4O25.76[OH]2.23Si8Ti1.6
  • Published Formula: (K,Na)2Na[(Nb,Ti)4(Si4O12)2(OH,O)4]·5H2O
  • Refined Formula: Ca0.40H14.24KNa1.60Nb2.36O34Si8Ti1.64
  • Wyckoff Sequence: 12,j8i4h2gea
  • Z Formula Units: 2
  • Density: ρ = 2.65 Mg·m−3

Crystallographic Data

Cell Parameters

Published Data
Standardized Data
Unit Cell
Niggli-Reduced Cell
Space Group
a
b
c
α
β
γ
a/b
b/c
c/a
V

Atom Coordinates

Standardized

Site
Element
Wyckoff Symbol
Symmetry
X
Y
Z
Occupation
Co-ord. No.
Atomic Env.

Published

Site
Element
Wyckoff Symbol
Symmetry
X
Y
Z
Occupation

Displacement Parameters

Isotropic

Site
Published
B [nm2]
Type
Computed
Beq [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1218156

  • Copyright

    ©Springer & Material Phases Data System (MPDS), Switzerland & National Institute for Materials Science (NIMS), Japan, 2016

  • Chief Editor

    Pierre Villars, Material Phases Data System (MPDS), CH-6354 Vitznau, Switzerland

    villars.mpds@bluewin.ch

  • Credits

    SpringerMaterials Release 2016.

    Data generated pre-2002: © Springer & MPDS & NIMS; post-2001: © Springer & MPDS

    All Rights Reserved. Version 2016.10.

    Project Coordinator: Shuichi Iwata

    Section-Editor: Karin Cenzual (Crystal Structures)

  • Cite this content

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